4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine

C13H11ClN2O2 — CID 139267002

IUPAC4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine
SMILESCc1ccc(-c2nc(C)cc(Cl)c2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11ClN2O2/c1-8-3-5-10(6-4-8)12-13(16(17)18)11(14)7-9(2)15-12/h3-7H,1-2H3
InChIKeyKRJCMWOWQJFSPD-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.93
Rot. Bonds2

About 4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine

4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine (PubChem CID 139267002) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine
PubChem CID139267002
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine
SMILESCc1ccc(-c2nc(C)cc(Cl)c2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11ClN2O2/c1-8-3-5-10(6-4-8)12-13(16(17)18)11(14)7-9(2)15-12/h3-7H,1-2H3
InChIKeyKRJCMWOWQJFSPD-UHFFFAOYSA-N
XLogP3.93
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,5-dichloro-2,3,4-trinitrobenzene
CID 172863590
2,3-bis(4-methylphenyl)-6-nitroquinoxaline
CID 2970023
2-(4-methylphenyl)-3-nitropyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 134099805
1-chloro-2,4-dimethyl-3-nitrobenzene
CID 20508440
1-chloro-5-methyl-3-methylsulfanyl-2-nitrobenzene
CID 130935670
5-(2-chloro-4-methylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 886062
2-methyl-6-(4-nitrophenyl)phenanthridine
CID 11995600
2,6-dimethyl-4-methylsulfanyl-3-nitropyridine
CID 10512161
1,3-dichloro-4,5-dimethyl-2-nitrobenzene
CID 20726985
4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
6-chloro-2-(3-methylphenyl)-3-nitropyridine
CID 79073948

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine?
The IUPAC name of 4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine (CID 139267002) is 4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine.
What is the SMILES notation for 4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine?
The canonical SMILES for 4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine is Cc1ccc(-c2nc(C)cc(Cl)c2[N+](=O)[O-])cc1.
What is the InChIKey of 4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine?
The InChIKey is KRJCMWOWQJFSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-8-3-5-10(6-4-8)12-13(16(17)18)11(14)7-9(2)15-12/h3-7H,1-2H3.
What are the key properties of 4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine?
4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine has a molecular weight of 262.70 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(4-methylphenyl)-3-nitropyridine is sourced from PubChem (CID 139267002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).